3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid

C14H22N2O3 — CID 82224178

IUPAC3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
SMILESCN(CCOc1cccc(N(C)C)c1)CCC(=O)O
InChIInChI=1S/C14H22N2O3/c1-15(2)12-5-4-6-13(11-12)19-10-9-16(3)8-7-14(17)18/h4-6,11H,7-10H2,1-3H3,(H,17,18)
InChIKeySXRDDUUJIKHWHP-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.54
Rot. Bonds8

About 3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid

3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid (PubChem CID 82224178) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
PubChem CID82224178
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
SMILESCN(CCOc1cccc(N(C)C)c1)CCC(=O)O
InChIInChI=1S/C14H22N2O3/c1-15(2)12-5-4-6-13(11-12)19-10-9-16(3)8-7-14(17)18/h4-6,11H,7-10H2,1-3H3,(H,17,18)
InChIKeySXRDDUUJIKHWHP-UHFFFAOYSA-N
XLogP1.54
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
3-[2-(4-chloro-3-methylphenoxy)ethyl-methylamino]propanoic acid
CID 82224188
4-[3-(3-chlorophenoxy)propyl-methylamino]butanoic acid
CID 119134826
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
3-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propanoic acid
CID 60987347
2-[3-(dimethylamino)phenoxy]-1-phenylethanone
CID 60773053
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
3-amino-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 112511325
(E)-4-[3-(dimethylamino)phenoxy]but-2-enoic acid
CID 62343701
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 63039991

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid?
The IUPAC name of 3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid (CID 82224178) is 3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid?
The canonical SMILES for 3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid is CN(CCOc1cccc(N(C)C)c1)CCC(=O)O.
What is the InChIKey of 3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid?
The InChIKey is SXRDDUUJIKHWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15(2)12-5-4-6-13(11-12)19-10-9-16(3)8-7-14(17)18/h4-6,11H,7-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid?
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid is sourced from PubChem (CID 82224178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).